bromo(iodo)methane

• ChemBase ID: 126258
• Molecular Formular: CH2BrI
• Molecular Mass: 220.83505
• Monoisotopic Mass: 219.83846006
• SMILES: BrCI
• Canonical SMILES: BrCI
• InChI: InChI=1S/CH2BrI/c2-1-3/h1H2
• InChIKey: TUDWMIUPYRKEFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(iodo)methane
• IUPAC Systematic name: Bromo(iodo)methane
• IUPAC Traditional name: bromoiodomethane
• Synonyms: Bromoiodomethane; Bromomethyl iodide; Iodobromomethane; Bromoiodomethane; 溴碘甲烷

Database IDs

• CAS Number: 557-68-6
• MDL Number: MFCD00041452
• PubChem SID: 24877999; 162220597
• PubChem CID: 68407
• Chemspider ID: 61690
• Wikipedia Title: Bromoiodomethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.0509079
• LogD (pH = 7.4): 2.0509079
• Log P: 2.0509079
• Molar Refractivity: 26.966 cm^3
• Polarizability: 11.111801 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colourless liquid
• Melting Point: 0.85°C (274K)
• Boiling Point: 138 - 141°C; 138-141 °C(lit.)
• Density: 2.93 g mL^-1; 2.93 g/mL at 25 °C(lit.)
• Refractive Index: 1.6382; n20/D 1.6382(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 37/38-41; R37/38, R41
• Safety Statements: 26-36/39; S26, S36/39
• GHS Pictograms: GHS corrosion; GHS exclamation mark; GHS05; GHS07
• GHS Signal Word: DANGER; Danger
• GHS Hazard statements: 315, 318, 335; H315-H318-H335
• GHS Precautionary statements: 261, 280, 305+351+338; P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Contains: copper as stabilizer
• Linear Formula: BrCH2I

DETAILS

Sigma Aldrich - 533874

Packaging
25 g in glass bottle
Application
Reactant for:
• Carbene insertion reactions1
• Ultrafast photodissociation2